USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 HIS : no HE2:sc= 0.996 K(o=2,f=-6.5!) USER MOD Set 1.2: A 86 SER OG : rot -169:sc= 0.984 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -145:sc= -1.89! (180deg=-3.52!) USER MOD Single : A 9 THR OG1 : rot -110:sc=-0.00755 USER MOD Single : A 11 CYS SG : rot 177:sc= -0.219 USER MOD Single : A 13 THR OG1 : rot 119:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot 151:sc= -1.99! USER MOD Single : A 19 TYR OH : rot -153:sc= 1.29 USER MOD Single : A 20 MET CE :methyl -155:sc= 0 (180deg=-0.618) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0228 (180deg=-0.185) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.265 (180deg=-0.469) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 169:sc= -0.0449 (180deg=-0.243) USER MOD Single : A 34 ASN : amide:sc= 0.0451 K(o=0.045,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0.957 (180deg=0.832) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 41 GLN : amide:sc= -1.12! C(o=-1.1!,f=-5.5!) USER MOD Single : A 44 THR OG1 : rot 17:sc= 0.775 USER MOD Single : A 48 ASN : amide:sc= -0.0787 X(o=-0.079,f=-0.095) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.24 K(o=1.2,f=-0.077) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.321! K(o=-0.32!,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.11) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.0414 (180deg=-0.26) USER MOD Single : A 97 ASN : amide:sc= 1.21 K(o=1.2,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.768 1.947 -8.266 1.00 0.00 N ATOM 21 CA LYS A 2 -12.389 1.508 -8.038 1.00 0.00 C ATOM 22 C LYS A 2 -11.722 2.423 -7.019 1.00 0.00 C ATOM 23 O LYS A 2 -11.253 3.508 -7.366 1.00 0.00 O ATOM 24 CB LYS A 2 -11.570 1.498 -9.337 1.00 0.00 C ATOM 25 CG LYS A 2 -12.199 0.702 -10.470 1.00 0.00 C ATOM 26 CD LYS A 2 -11.357 0.786 -11.733 1.00 0.00 C ATOM 27 CE LYS A 2 -12.096 0.247 -12.944 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.274 0.350 -14.178 1.00 0.00 N ATOM 0 HA LYS A 2 -12.423 0.487 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.425 2.526 -9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.582 1.088 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.307 -0.340 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.201 1.081 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.075 1.823 -11.912 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.434 0.224 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.366 -0.795 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.026 0.799 -13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.811 -0.027 -14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.038 1.347 -14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.398 -0.198 -14.058 1.00 0.00 H new ATOM 42 N ARG A 3 -11.699 1.995 -5.761 1.00 0.00 N ATOM 43 CA ARG A 3 -11.162 2.827 -4.692 1.00 0.00 C ATOM 44 C ARG A 3 -9.704 3.163 -4.966 1.00 0.00 C ATOM 45 O ARG A 3 -8.900 2.281 -5.274 1.00 0.00 O ATOM 46 CB ARG A 3 -11.285 2.140 -3.331 1.00 0.00 C ATOM 47 CG ARG A 3 -11.395 3.125 -2.178 1.00 0.00 C ATOM 48 CD ARG A 3 -12.793 3.718 -2.099 1.00 0.00 C ATOM 49 NE ARG A 3 -12.817 5.001 -1.400 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.613 5.284 -0.370 1.00 0.00 C ATOM 51 NH1 ARG A 3 -14.388 4.352 0.167 1.00 0.00 N ATOM 52 NH2 ARG A 3 -13.618 6.509 0.134 1.00 0.00 N ATOM 0 H ARG A 3 -12.043 1.084 -5.459 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.748 3.746 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.162 1.493 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.417 1.500 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.156 2.622 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.664 3.923 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.186 3.850 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.453 3.017 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.181 5.730 -1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.380 3.404 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.992 4.583 0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.015 7.228 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.225 6.734 0.923 1.00 0.00 H new ATOM 66 N LYS A 4 -9.381 4.443 -4.873 1.00 0.00 N ATOM 67 CA LYS A 4 -8.029 4.916 -5.116 1.00 0.00 C ATOM 68 C LYS A 4 -7.161 4.643 -3.894 1.00 0.00 C ATOM 69 O LYS A 4 -7.292 5.310 -2.863 1.00 0.00 O ATOM 70 CB LYS A 4 -8.036 6.417 -5.422 1.00 0.00 C ATOM 71 CG LYS A 4 -9.063 6.833 -6.466 1.00 0.00 C ATOM 72 CD LYS A 4 -8.844 6.126 -7.790 1.00 0.00 C ATOM 73 CE LYS A 4 -9.816 6.621 -8.845 1.00 0.00 C ATOM 74 NZ LYS A 4 -9.598 5.949 -10.151 1.00 0.00 N ATOM 0 H LYS A 4 -10.044 5.178 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.621 4.385 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.229 6.964 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.044 6.712 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.065 6.611 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.010 7.911 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.821 6.291 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.966 5.051 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.838 6.443 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.703 7.698 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.783 6.621 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.614 5.616 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.243 5.138 -10.236 1.00 0.00 H new ATOM 88 N ILE A 5 -6.294 3.654 -4.001 1.00 0.00 N ATOM 89 CA ILE A 5 -5.476 3.247 -2.872 1.00 0.00 C ATOM 90 C ILE A 5 -3.997 3.338 -3.211 1.00 0.00 C ATOM 91 O ILE A 5 -3.560 2.883 -4.268 1.00 0.00 O ATOM 92 CB ILE A 5 -5.815 1.805 -2.429 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.317 1.687 -2.145 1.00 0.00 C ATOM 94 CG2 ILE A 5 -5.003 1.413 -1.198 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.756 0.307 -1.703 1.00 0.00 C ATOM 0 H ILE A 5 -6.137 3.118 -4.855 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.695 3.929 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.554 1.120 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.588 2.407 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.869 1.961 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.257 0.395 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.940 1.469 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.231 2.095 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.831 0.308 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.519 -0.417 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.234 0.036 -0.785 1.00 0.00 H new ATOM 107 N ILE A 6 -3.232 3.943 -2.317 1.00 0.00 N ATOM 108 CA ILE A 6 -1.793 4.023 -2.484 1.00 0.00 C ATOM 109 C ILE A 6 -1.106 3.161 -1.432 1.00 0.00 C ATOM 110 O ILE A 6 -1.449 3.215 -0.253 1.00 0.00 O ATOM 111 CB ILE A 6 -1.257 5.481 -2.423 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.584 6.176 -1.088 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.811 6.288 -3.590 1.00 0.00 C ATOM 114 CD1 ILE A 6 -3.008 6.680 -0.971 1.00 0.00 C ATOM 0 H ILE A 6 -3.585 4.386 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.561 3.649 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.171 5.430 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.392 5.478 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.903 7.017 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.431 7.308 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.500 5.830 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.900 6.304 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.147 7.154 0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.203 7.406 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.699 5.843 -1.069 1.00 0.00 H new ATOM 126 N ALA A 7 -0.161 2.345 -1.858 1.00 0.00 N ATOM 127 CA ALA A 7 0.493 1.421 -0.950 1.00 0.00 C ATOM 128 C ALA A 7 1.996 1.437 -1.146 1.00 0.00 C ATOM 129 O ALA A 7 2.484 1.520 -2.268 1.00 0.00 O ATOM 130 CB ALA A 7 -0.050 0.014 -1.152 1.00 0.00 C ATOM 0 H ALA A 7 0.170 2.302 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 7 0.281 1.740 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.448 -0.670 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.122 0.006 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.135 -0.303 -2.178 1.00 0.00 H new ATOM 136 N VAL A 8 2.723 1.370 -0.049 1.00 0.00 N ATOM 137 CA VAL A 8 4.169 1.312 -0.102 1.00 0.00 C ATOM 138 C VAL A 8 4.670 0.056 0.594 1.00 0.00 C ATOM 139 O VAL A 8 4.441 -0.141 1.787 1.00 0.00 O ATOM 140 CB VAL A 8 4.821 2.553 0.548 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.340 2.470 0.473 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.328 3.827 -0.117 1.00 0.00 C ATOM 0 H VAL A 8 2.334 1.354 0.894 1.00 0.00 H new ATOM 0 HA VAL A 8 4.453 1.292 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 8 4.531 2.575 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.776 3.355 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.682 1.579 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.650 2.417 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.799 4.689 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.585 3.808 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.246 3.899 -0.008 1.00 0.00 H new ATOM 152 N THR A 9 5.323 -0.802 -0.165 1.00 0.00 N ATOM 153 CA THR A 9 5.943 -1.990 0.389 1.00 0.00 C ATOM 154 C THR A 9 7.435 -1.746 0.571 1.00 0.00 C ATOM 155 O THR A 9 8.128 -1.386 -0.381 1.00 0.00 O ATOM 156 CB THR A 9 5.713 -3.216 -0.519 1.00 0.00 C ATOM 157 OG1 THR A 9 6.042 -2.890 -1.877 1.00 0.00 O ATOM 158 CG2 THR A 9 4.268 -3.686 -0.443 1.00 0.00 C ATOM 0 H THR A 9 5.438 -0.698 -1.173 1.00 0.00 H new ATOM 0 HA THR A 9 5.485 -2.200 1.356 1.00 0.00 H new ATOM 0 HB THR A 9 6.359 -4.022 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.222 -2.856 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.132 -4.551 -1.092 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.029 -3.962 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.607 -2.882 -0.766 1.00 0.00 H new ATOM 166 N ALA A 10 7.929 -1.920 1.787 1.00 0.00 N ATOM 167 CA ALA A 10 9.317 -1.601 2.079 1.00 0.00 C ATOM 168 C ALA A 10 9.936 -2.606 3.036 1.00 0.00 C ATOM 169 O ALA A 10 9.755 -2.515 4.249 1.00 0.00 O ATOM 170 CB ALA A 10 9.429 -0.194 2.643 1.00 0.00 C ATOM 0 H ALA A 10 7.396 -2.277 2.580 1.00 0.00 H new ATOM 0 HA ALA A 10 9.872 -1.654 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.474 0.030 2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.046 0.521 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.847 -0.123 3.562 1.00 0.00 H new ATOM 176 N CYS A 11 10.659 -3.564 2.486 1.00 0.00 N ATOM 177 CA CYS A 11 11.343 -4.561 3.289 1.00 0.00 C ATOM 178 C CYS A 11 12.741 -4.816 2.739 1.00 0.00 C ATOM 179 O CYS A 11 12.903 -5.413 1.674 1.00 0.00 O ATOM 180 CB CYS A 11 10.539 -5.862 3.322 1.00 0.00 C ATOM 181 SG CYS A 11 11.288 -7.176 4.317 1.00 0.00 S ATOM 0 H CYS A 11 10.788 -3.673 1.480 1.00 0.00 H new ATOM 0 HA CYS A 11 11.434 -4.183 4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.543 -5.650 3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.412 -6.223 2.301 1.00 0.00 H new ATOM 0 HG CYS A 11 10.500 -8.210 4.334 1.00 0.00 H new ATOM 187 N ALA A 12 13.746 -4.339 3.457 1.00 0.00 N ATOM 188 CA ALA A 12 15.129 -4.563 3.071 1.00 0.00 C ATOM 189 C ALA A 12 15.580 -5.947 3.516 1.00 0.00 C ATOM 190 O ALA A 12 16.388 -6.596 2.853 1.00 0.00 O ATOM 191 CB ALA A 12 16.028 -3.492 3.672 1.00 0.00 C ATOM 0 H ALA A 12 13.629 -3.794 4.311 1.00 0.00 H new ATOM 0 HA ALA A 12 15.203 -4.504 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.060 -3.674 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.714 -2.511 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.954 -3.523 4.759 1.00 0.00 H new ATOM 197 N THR A 13 15.036 -6.390 4.643 1.00 0.00 N ATOM 198 CA THR A 13 15.365 -7.690 5.207 1.00 0.00 C ATOM 199 C THR A 13 15.010 -8.810 4.229 1.00 0.00 C ATOM 200 O THR A 13 15.815 -9.708 3.972 1.00 0.00 O ATOM 201 CB THR A 13 14.608 -7.892 6.532 1.00 0.00 C ATOM 202 OG1 THR A 13 14.710 -6.699 7.326 1.00 0.00 O ATOM 203 CG2 THR A 13 15.172 -9.072 7.310 1.00 0.00 C ATOM 0 H THR A 13 14.357 -5.859 5.189 1.00 0.00 H new ATOM 0 HA THR A 13 16.438 -7.724 5.395 1.00 0.00 H new ATOM 0 HB THR A 13 13.563 -8.101 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.815 -6.333 7.482 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.619 -9.192 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.079 -9.979 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.223 -8.891 7.533 1.00 0.00 H new ATOM 211 N GLY A 14 13.813 -8.735 3.672 1.00 0.00 N ATOM 212 CA GLY A 14 13.378 -9.701 2.692 1.00 0.00 C ATOM 213 C GLY A 14 12.826 -9.021 1.461 1.00 0.00 C ATOM 214 O GLY A 14 11.620 -8.802 1.354 1.00 0.00 O ATOM 0 H GLY A 14 13.127 -8.011 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.215 -10.341 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.615 -10.346 3.127 1.00 0.00 H new ATOM 218 N VAL A 15 13.710 -8.681 0.536 1.00 0.00 N ATOM 219 CA VAL A 15 13.325 -7.953 -0.666 1.00 0.00 C ATOM 220 C VAL A 15 12.355 -8.770 -1.527 1.00 0.00 C ATOM 221 O VAL A 15 11.503 -8.208 -2.221 1.00 0.00 O ATOM 222 CB VAL A 15 14.570 -7.543 -1.491 1.00 0.00 C ATOM 223 CG1 VAL A 15 15.363 -8.762 -1.934 1.00 0.00 C ATOM 224 CG2 VAL A 15 14.173 -6.689 -2.685 1.00 0.00 C ATOM 0 H VAL A 15 14.705 -8.898 0.594 1.00 0.00 H new ATOM 0 HA VAL A 15 12.811 -7.046 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 15 15.214 -6.945 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.231 -8.442 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.695 -9.318 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.732 -9.401 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 15 15.065 -6.414 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 15 13.498 -7.254 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 15 13.672 -5.786 -2.336 1.00 0.00 H new ATOM 234 N ALA A 16 12.461 -10.095 -1.456 1.00 0.00 N ATOM 235 CA ALA A 16 11.552 -10.971 -2.183 1.00 0.00 C ATOM 236 C ALA A 16 10.133 -10.836 -1.640 1.00 0.00 C ATOM 237 O ALA A 16 9.156 -10.950 -2.381 1.00 0.00 O ATOM 238 CB ALA A 16 12.022 -12.415 -2.100 1.00 0.00 C ATOM 0 H ALA A 16 13.166 -10.582 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 16 11.549 -10.672 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.331 -13.055 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.018 -12.499 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.055 -12.728 -1.056 1.00 0.00 H new ATOM 244 N HIS A 17 10.033 -10.559 -0.343 1.00 0.00 N ATOM 245 CA HIS A 17 8.740 -10.373 0.307 1.00 0.00 C ATOM 246 C HIS A 17 8.086 -9.100 -0.200 1.00 0.00 C ATOM 247 O HIS A 17 6.889 -9.069 -0.463 1.00 0.00 O ATOM 248 CB HIS A 17 8.893 -10.296 1.832 1.00 0.00 C ATOM 249 CG HIS A 17 9.365 -11.565 2.471 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.734 -12.141 3.554 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.425 -12.362 2.190 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.386 -13.232 3.908 1.00 0.00 C ATOM 253 NE2 HIS A 17 10.414 -13.389 3.097 1.00 0.00 N ATOM 0 H HIS A 17 10.834 -10.458 0.280 1.00 0.00 H new ATOM 0 HA HIS A 17 8.114 -11.232 0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.595 -9.498 2.075 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.933 -10.019 2.268 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.896 -11.780 4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.145 -12.215 1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.122 -13.887 4.725 1.00 0.00 H new ATOM 262 N THR A 18 8.898 -8.058 -0.343 1.00 0.00 N ATOM 263 CA THR A 18 8.437 -6.766 -0.831 1.00 0.00 C ATOM 264 C THR A 18 7.762 -6.899 -2.195 1.00 0.00 C ATOM 265 O THR A 18 6.636 -6.436 -2.398 1.00 0.00 O ATOM 266 CB THR A 18 9.623 -5.788 -0.950 1.00 0.00 C ATOM 267 OG1 THR A 18 10.343 -5.741 0.287 1.00 0.00 O ATOM 268 CG2 THR A 18 9.151 -4.392 -1.318 1.00 0.00 C ATOM 0 H THR A 18 9.894 -8.087 -0.124 1.00 0.00 H new ATOM 0 HA THR A 18 7.710 -6.382 -0.115 1.00 0.00 H new ATOM 0 HB THR A 18 10.278 -6.148 -1.743 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.285 -5.536 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.010 -3.726 -1.394 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.631 -4.424 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.473 -4.023 -0.549 1.00 0.00 H new ATOM 276 N TYR A 19 8.449 -7.559 -3.117 1.00 0.00 N ATOM 277 CA TYR A 19 7.978 -7.675 -4.490 1.00 0.00 C ATOM 278 C TYR A 19 6.769 -8.603 -4.577 1.00 0.00 C ATOM 279 O TYR A 19 5.817 -8.327 -5.307 1.00 0.00 O ATOM 280 CB TYR A 19 9.108 -8.175 -5.398 1.00 0.00 C ATOM 281 CG TYR A 19 10.219 -7.161 -5.620 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.605 -6.281 -4.614 1.00 0.00 C ATOM 283 CD2 TYR A 19 10.885 -7.091 -6.836 1.00 0.00 C ATOM 284 CE1 TYR A 19 11.617 -5.365 -4.813 1.00 0.00 C ATOM 285 CE2 TYR A 19 11.900 -6.175 -7.042 1.00 0.00 C ATOM 286 CZ TYR A 19 12.260 -5.315 -6.027 1.00 0.00 C ATOM 287 OH TYR A 19 13.274 -4.403 -6.224 1.00 0.00 O ATOM 0 H TYR A 19 9.339 -8.024 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 19 7.668 -6.687 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.536 -9.078 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.687 -8.454 -6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.103 -6.316 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.606 -7.763 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.903 -4.691 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.408 -6.134 -7.994 1.00 0.00 H new ATOM 0 HH TYR A 19 13.334 -4.181 -7.177 1.00 0.00 H new ATOM 297 N MET A 20 6.803 -9.692 -3.818 1.00 0.00 N ATOM 298 CA MET A 20 5.696 -10.640 -3.809 1.00 0.00 C ATOM 299 C MET A 20 4.447 -10.000 -3.208 1.00 0.00 C ATOM 300 O MET A 20 3.338 -10.195 -3.707 1.00 0.00 O ATOM 301 CB MET A 20 6.067 -11.901 -3.027 1.00 0.00 C ATOM 302 CG MET A 20 4.995 -12.978 -3.080 1.00 0.00 C ATOM 303 SD MET A 20 5.436 -14.443 -2.123 1.00 0.00 S ATOM 304 CE MET A 20 4.043 -15.509 -2.477 1.00 0.00 C ATOM 0 H MET A 20 7.580 -9.939 -3.205 1.00 0.00 H new ATOM 0 HA MET A 20 5.485 -10.921 -4.841 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.998 -12.305 -3.423 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.253 -11.634 -1.987 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.057 -12.571 -2.703 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.824 -13.264 -4.118 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.920 -16.228 -1.667 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.139 -14.907 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.221 -16.042 -3.411 1.00 0.00 H new ATOM 314 N ALA A 21 4.638 -9.229 -2.141 1.00 0.00 N ATOM 315 CA ALA A 21 3.535 -8.552 -1.471 1.00 0.00 C ATOM 316 C ALA A 21 2.833 -7.584 -2.410 1.00 0.00 C ATOM 317 O ALA A 21 1.611 -7.595 -2.516 1.00 0.00 O ATOM 318 CB ALA A 21 4.029 -7.817 -0.238 1.00 0.00 C ATOM 0 H ALA A 21 5.552 -9.058 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 21 2.816 -9.312 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.191 -7.318 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.479 -8.529 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.773 -7.076 -0.530 1.00 0.00 H new ATOM 324 N ALA A 22 3.617 -6.757 -3.093 1.00 0.00 N ATOM 325 CA ALA A 22 3.072 -5.769 -4.020 1.00 0.00 C ATOM 326 C ALA A 22 2.210 -6.432 -5.089 1.00 0.00 C ATOM 327 O ALA A 22 1.144 -5.928 -5.446 1.00 0.00 O ATOM 328 CB ALA A 22 4.206 -4.991 -4.670 1.00 0.00 C ATOM 0 H ALA A 22 4.635 -6.751 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 22 2.440 -5.083 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.794 -4.255 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.785 -4.481 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.853 -5.678 -5.216 1.00 0.00 H new ATOM 334 N GLN A 23 2.679 -7.568 -5.588 1.00 0.00 N ATOM 335 CA GLN A 23 1.968 -8.305 -6.623 1.00 0.00 C ATOM 336 C GLN A 23 0.703 -8.955 -6.065 1.00 0.00 C ATOM 337 O GLN A 23 -0.377 -8.824 -6.643 1.00 0.00 O ATOM 338 CB GLN A 23 2.885 -9.367 -7.226 1.00 0.00 C ATOM 339 CG GLN A 23 4.085 -8.786 -7.955 1.00 0.00 C ATOM 340 CD GLN A 23 5.088 -9.846 -8.359 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.728 -11.000 -8.599 1.00 0.00 O ATOM 342 NE2 GLN A 23 6.353 -9.464 -8.444 1.00 0.00 N ATOM 0 H GLN A 23 3.554 -8.001 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 23 1.670 -7.603 -7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.236 -10.026 -6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.310 -9.981 -7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.744 -8.256 -8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.575 -8.052 -7.315 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.609 -8.499 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.071 -10.135 -8.717 1.00 0.00 H new ATOM 351 N ALA A 24 0.839 -9.640 -4.933 1.00 0.00 N ATOM 352 CA ALA A 24 -0.287 -10.330 -4.309 1.00 0.00 C ATOM 353 C ALA A 24 -1.359 -9.341 -3.867 1.00 0.00 C ATOM 354 O ALA A 24 -2.556 -9.602 -3.996 1.00 0.00 O ATOM 355 CB ALA A 24 0.194 -11.157 -3.125 1.00 0.00 C ATOM 0 H ALA A 24 1.720 -9.732 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.730 -10.997 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.655 -11.666 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.919 -11.895 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.662 -10.502 -2.390 1.00 0.00 H new ATOM 361 N LEU A 25 -0.914 -8.209 -3.350 1.00 0.00 N ATOM 362 CA LEU A 25 -1.810 -7.137 -2.934 1.00 0.00 C ATOM 363 C LEU A 25 -2.550 -6.558 -4.138 1.00 0.00 C ATOM 364 O LEU A 25 -3.741 -6.249 -4.068 1.00 0.00 O ATOM 365 CB LEU A 25 -0.997 -6.046 -2.235 1.00 0.00 C ATOM 366 CG LEU A 25 -1.780 -4.836 -1.730 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.795 -5.251 -0.674 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.817 -3.797 -1.176 1.00 0.00 C ATOM 0 H LEU A 25 0.075 -8.005 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.552 -7.537 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.479 -6.496 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.232 -5.694 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.329 -4.398 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.341 -4.373 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.495 -5.968 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.277 -5.710 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.379 -2.935 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.250 -4.230 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.131 -3.481 -1.962 1.00 0.00 H new ATOM 380 N LYS A 26 -1.836 -6.430 -5.249 1.00 0.00 N ATOM 381 CA LYS A 26 -2.412 -5.899 -6.475 1.00 0.00 C ATOM 382 C LYS A 26 -3.407 -6.893 -7.071 1.00 0.00 C ATOM 383 O LYS A 26 -4.367 -6.504 -7.739 1.00 0.00 O ATOM 384 CB LYS A 26 -1.297 -5.579 -7.474 1.00 0.00 C ATOM 385 CG LYS A 26 -1.770 -4.836 -8.711 1.00 0.00 C ATOM 386 CD LYS A 26 -0.601 -4.425 -9.594 1.00 0.00 C ATOM 387 CE LYS A 26 0.306 -3.429 -8.890 1.00 0.00 C ATOM 388 NZ LYS A 26 1.506 -3.094 -9.700 1.00 0.00 N ATOM 0 H LYS A 26 -0.852 -6.688 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.951 -4.979 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.535 -4.982 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.821 -6.510 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.452 -5.469 -9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.331 -3.951 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.026 -5.308 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.978 -3.986 -10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.253 -2.518 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.620 -3.841 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.096 -2.412 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.055 -3.959 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.209 -2.677 -10.605 1.00 0.00 H new ATOM 402 N LYS A 27 -3.177 -8.178 -6.820 1.00 0.00 N ATOM 403 CA LYS A 27 -4.093 -9.223 -7.261 1.00 0.00 C ATOM 404 C LYS A 27 -5.429 -9.103 -6.546 1.00 0.00 C ATOM 405 O LYS A 27 -6.487 -9.250 -7.158 1.00 0.00 O ATOM 406 CB LYS A 27 -3.497 -10.606 -7.018 1.00 0.00 C ATOM 407 CG LYS A 27 -2.443 -10.999 -8.037 1.00 0.00 C ATOM 408 CD LYS A 27 -3.015 -11.022 -9.446 1.00 0.00 C ATOM 409 CE LYS A 27 -1.960 -11.397 -10.470 1.00 0.00 C ATOM 410 NZ LYS A 27 -1.412 -12.758 -10.236 1.00 0.00 N ATOM 0 H LYS A 27 -2.362 -8.521 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.254 -9.096 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.056 -10.633 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.298 -11.345 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.611 -10.296 -7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.043 -11.982 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.839 -11.734 -9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.427 -10.042 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.392 -11.348 -11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.149 -10.670 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.867 -13.060 -11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.791 -12.744 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.194 -13.424 -10.074 1.00 0.00 H new ATOM 424 N GLY A 28 -5.372 -8.839 -5.250 1.00 0.00 N ATOM 425 CA GLY A 28 -6.583 -8.599 -4.488 1.00 0.00 C ATOM 426 C GLY A 28 -7.344 -7.397 -5.008 1.00 0.00 C ATOM 427 O GLY A 28 -8.576 -7.408 -5.090 1.00 0.00 O ATOM 0 H GLY A 28 -4.508 -8.786 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.222 -9.481 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.328 -8.443 -3.440 1.00 0.00 H new ATOM 431 N ALA A 29 -6.603 -6.360 -5.381 1.00 0.00 N ATOM 432 CA ALA A 29 -7.189 -5.170 -5.977 1.00 0.00 C ATOM 433 C ALA A 29 -7.867 -5.512 -7.300 1.00 0.00 C ATOM 434 O ALA A 29 -8.928 -4.975 -7.615 1.00 0.00 O ATOM 435 CB ALA A 29 -6.130 -4.096 -6.181 1.00 0.00 C ATOM 0 H ALA A 29 -5.589 -6.322 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.944 -4.781 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.588 -3.214 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.692 -3.830 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.351 -4.475 -6.842 1.00 0.00 H new ATOM 441 N LYS A 30 -7.257 -6.416 -8.063 1.00 0.00 N ATOM 442 CA LYS A 30 -7.843 -6.885 -9.319 1.00 0.00 C ATOM 443 C LYS A 30 -9.122 -7.675 -9.059 1.00 0.00 C ATOM 444 O LYS A 30 -10.094 -7.562 -9.808 1.00 0.00 O ATOM 445 CB LYS A 30 -6.853 -7.761 -10.095 1.00 0.00 C ATOM 446 CG LYS A 30 -5.720 -6.996 -10.757 1.00 0.00 C ATOM 447 CD LYS A 30 -4.825 -7.935 -11.553 1.00 0.00 C ATOM 448 CE LYS A 30 -3.829 -7.178 -12.422 1.00 0.00 C ATOM 449 NZ LYS A 30 -2.844 -6.405 -11.623 1.00 0.00 N ATOM 0 H LYS A 30 -6.357 -6.839 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.081 -6.005 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.428 -8.498 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.398 -8.313 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.129 -6.230 -11.416 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.131 -6.481 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.284 -8.588 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.442 -8.575 -12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.299 -7.885 -13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.370 -6.498 -13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.042 -6.135 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.298 -5.548 -11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.502 -6.990 -10.834 1.00 0.00 H new ATOM 463 N LYS A 31 -9.112 -8.463 -7.992 1.00 0.00 N ATOM 464 CA LYS A 31 -10.251 -9.301 -7.636 1.00 0.00 C ATOM 465 C LYS A 31 -11.450 -8.441 -7.246 1.00 0.00 C ATOM 466 O LYS A 31 -12.544 -8.578 -7.799 1.00 0.00 O ATOM 467 CB LYS A 31 -9.875 -10.222 -6.470 1.00 0.00 C ATOM 468 CG LYS A 31 -10.977 -11.191 -6.066 1.00 0.00 C ATOM 469 CD LYS A 31 -10.754 -11.749 -4.668 1.00 0.00 C ATOM 470 CE LYS A 31 -9.475 -12.565 -4.569 1.00 0.00 C ATOM 471 NZ LYS A 31 -9.585 -13.874 -5.268 1.00 0.00 N ATOM 0 H LYS A 31 -8.321 -8.540 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.521 -9.904 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.986 -10.792 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.610 -9.610 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.940 -10.683 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.020 -12.011 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.714 -10.927 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.603 -12.373 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.649 -11.996 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.235 -12.735 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.690 -14.394 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.355 -14.430 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.787 -13.714 -6.275 1.00 0.00 H new ATOM 485 N MET A 32 -11.228 -7.545 -6.297 1.00 0.00 N ATOM 486 CA MET A 32 -12.291 -6.694 -5.785 1.00 0.00 C ATOM 487 C MET A 32 -12.663 -5.608 -6.791 1.00 0.00 C ATOM 488 O MET A 32 -13.806 -5.149 -6.831 1.00 0.00 O ATOM 489 CB MET A 32 -11.866 -6.067 -4.459 1.00 0.00 C ATOM 490 CG MET A 32 -11.588 -7.093 -3.375 1.00 0.00 C ATOM 491 SD MET A 32 -13.054 -8.056 -2.949 1.00 0.00 S ATOM 492 CE MET A 32 -12.395 -9.126 -1.673 1.00 0.00 C ATOM 0 H MET A 32 -10.318 -7.388 -5.864 1.00 0.00 H new ATOM 0 HA MET A 32 -13.173 -7.313 -5.621 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.971 -5.465 -4.619 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.649 -5.390 -4.117 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.799 -7.766 -3.709 1.00 0.00 H new ATOM 0 HG3 MET A 32 -11.218 -6.586 -2.484 1.00 0.00 H new ATOM 0 HE1 MET A 32 -13.214 -9.643 -1.173 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.724 -9.858 -2.123 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.845 -8.529 -0.946 1.00 0.00 H new ATOM 502 N GLY A 33 -11.699 -5.203 -7.604 1.00 0.00 N ATOM 503 CA GLY A 33 -11.959 -4.202 -8.621 1.00 0.00 C ATOM 504 C GLY A 33 -11.629 -2.802 -8.151 1.00 0.00 C ATOM 505 O GLY A 33 -12.487 -1.921 -8.151 1.00 0.00 O ATOM 0 H GLY A 33 -10.740 -5.549 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.372 -4.431 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.009 -4.247 -8.911 1.00 0.00 H new ATOM 509 N ASN A 34 -10.385 -2.601 -7.748 1.00 0.00 N ATOM 510 CA ASN A 34 -9.933 -1.304 -7.263 1.00 0.00 C ATOM 511 C ASN A 34 -8.670 -0.879 -7.995 1.00 0.00 C ATOM 512 O ASN A 34 -8.080 -1.671 -8.734 1.00 0.00 O ATOM 513 CB ASN A 34 -9.665 -1.343 -5.755 1.00 0.00 C ATOM 514 CG ASN A 34 -10.920 -1.598 -4.944 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.642 -0.672 -4.589 1.00 0.00 O ATOM 516 ND2 ASN A 34 -11.178 -2.858 -4.632 1.00 0.00 N ATOM 0 H ASN A 34 -9.665 -3.323 -7.747 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.724 -0.580 -7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.934 -2.122 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.223 -0.397 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.002 -3.087 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.552 -3.600 -4.947 1.00 0.00 H new ATOM 523 N LEU A 35 -8.256 0.362 -7.786 1.00 0.00 N ATOM 524 CA LEU A 35 -7.042 0.872 -8.402 1.00 0.00 C ATOM 525 C LEU A 35 -6.020 1.210 -7.334 1.00 0.00 C ATOM 526 O LEU A 35 -6.188 2.168 -6.576 1.00 0.00 O ATOM 527 CB LEU A 35 -7.337 2.103 -9.259 1.00 0.00 C ATOM 528 CG LEU A 35 -8.187 1.830 -10.501 1.00 0.00 C ATOM 529 CD1 LEU A 35 -8.421 3.108 -11.284 1.00 0.00 C ATOM 530 CD2 LEU A 35 -7.518 0.783 -11.380 1.00 0.00 C ATOM 0 H LEU A 35 -8.744 1.034 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.637 0.096 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.846 2.844 -8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.391 2.545 -9.573 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.155 1.447 -10.177 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.028 2.890 -12.163 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.940 3.830 -10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.463 3.523 -11.598 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.134 0.599 -12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.538 1.143 -11.692 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.402 -0.144 -10.818 1.00 0.00 H new ATOM 542 N ILE A 36 -4.969 0.415 -7.265 1.00 0.00 N ATOM 543 CA ILE A 36 -3.960 0.590 -6.246 1.00 0.00 C ATOM 544 C ILE A 36 -2.597 0.865 -6.875 1.00 0.00 C ATOM 545 O ILE A 36 -2.251 0.306 -7.922 1.00 0.00 O ATOM 546 CB ILE A 36 -3.881 -0.646 -5.314 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.998 -0.350 -4.102 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.362 -1.865 -6.067 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.962 -1.469 -3.085 1.00 0.00 C ATOM 0 H ILE A 36 -4.795 -0.359 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.247 1.452 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.889 -0.868 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.983 -0.150 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.356 0.558 -3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.316 -2.718 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.033 -2.094 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.365 -1.656 -6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.315 -1.185 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.970 -1.655 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.575 -2.374 -3.553 1.00 0.00 H new ATOM 561 N LYS A 37 -1.845 1.745 -6.246 1.00 0.00 N ATOM 562 CA LYS A 37 -0.493 2.050 -6.674 1.00 0.00 C ATOM 563 C LYS A 37 0.487 1.619 -5.602 1.00 0.00 C ATOM 564 O LYS A 37 0.606 2.262 -4.561 1.00 0.00 O ATOM 565 CB LYS A 37 -0.335 3.543 -6.965 1.00 0.00 C ATOM 566 CG LYS A 37 -0.502 3.909 -8.430 1.00 0.00 C ATOM 567 CD LYS A 37 0.600 3.293 -9.276 1.00 0.00 C ATOM 568 CE LYS A 37 0.555 3.785 -10.712 1.00 0.00 C ATOM 569 NZ LYS A 37 0.764 5.254 -10.804 1.00 0.00 N ATOM 0 H LYS A 37 -2.152 2.268 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.287 1.504 -7.595 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.067 4.097 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.651 3.865 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.473 3.565 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.487 4.993 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.570 3.534 -8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.505 2.207 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.320 3.273 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.408 3.527 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.844 5.531 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.043 5.747 -10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.637 5.513 -10.302 1.00 0.00 H new ATOM 583 N VAL A 38 1.168 0.512 -5.851 1.00 0.00 N ATOM 584 CA VAL A 38 2.083 -0.044 -4.872 1.00 0.00 C ATOM 585 C VAL A 38 3.528 0.284 -5.224 1.00 0.00 C ATOM 586 O VAL A 38 4.014 -0.072 -6.300 1.00 0.00 O ATOM 587 CB VAL A 38 1.929 -1.573 -4.746 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.709 -2.088 -3.548 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.462 -1.961 -4.637 1.00 0.00 C ATOM 0 H VAL A 38 1.104 -0.017 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 38 1.830 0.412 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 38 2.335 -2.033 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.590 -3.169 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.765 -1.847 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.333 -1.618 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.378 -3.044 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.026 -1.490 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.070 -1.627 -5.528 1.00 0.00 H new ATOM 599 N GLU A 39 4.199 0.962 -4.309 1.00 0.00 N ATOM 600 CA GLU A 39 5.600 1.312 -4.467 1.00 0.00 C ATOM 601 C GLU A 39 6.470 0.257 -3.791 1.00 0.00 C ATOM 602 O GLU A 39 6.124 -0.252 -2.723 1.00 0.00 O ATOM 603 CB GLU A 39 5.861 2.694 -3.851 1.00 0.00 C ATOM 604 CG GLU A 39 7.306 3.157 -3.947 1.00 0.00 C ATOM 605 CD GLU A 39 7.514 4.537 -3.362 1.00 0.00 C ATOM 606 OE1 GLU A 39 7.368 5.530 -4.106 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.838 4.636 -2.157 1.00 0.00 O ATOM 0 H GLU A 39 3.787 1.286 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 39 5.849 1.348 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.223 3.426 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.567 2.673 -2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.947 2.445 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.614 3.159 -4.992 1.00 0.00 H new ATOM 614 N THR A 40 7.582 -0.084 -4.417 1.00 0.00 N ATOM 615 CA THR A 40 8.482 -1.078 -3.865 1.00 0.00 C ATOM 616 C THR A 40 9.776 -0.424 -3.412 1.00 0.00 C ATOM 617 O THR A 40 10.596 -0.005 -4.231 1.00 0.00 O ATOM 618 CB THR A 40 8.774 -2.199 -4.881 1.00 0.00 C ATOM 619 OG1 THR A 40 8.887 -1.653 -6.202 1.00 0.00 O ATOM 620 CG2 THR A 40 7.679 -3.254 -4.859 1.00 0.00 C ATOM 0 H THR A 40 7.883 0.313 -5.307 1.00 0.00 H new ATOM 0 HA THR A 40 7.993 -1.530 -3.002 1.00 0.00 H new ATOM 0 HB THR A 40 9.716 -2.669 -4.600 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.074 -2.374 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.910 -4.033 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.617 -3.693 -3.863 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.724 -2.793 -5.113 1.00 0.00 H new ATOM 628 N GLN A 41 9.938 -0.317 -2.103 1.00 0.00 N ATOM 629 CA GLN A 41 11.078 0.365 -1.524 1.00 0.00 C ATOM 630 C GLN A 41 11.904 -0.600 -0.682 1.00 0.00 C ATOM 631 O GLN A 41 11.540 -0.929 0.441 1.00 0.00 O ATOM 632 CB GLN A 41 10.572 1.539 -0.688 1.00 0.00 C ATOM 633 CG GLN A 41 11.656 2.449 -0.145 1.00 0.00 C ATOM 634 CD GLN A 41 11.095 3.779 0.329 1.00 0.00 C ATOM 635 OE1 GLN A 41 11.630 4.409 1.239 1.00 0.00 O ATOM 636 NE2 GLN A 41 10.008 4.222 -0.293 1.00 0.00 N ATOM 0 H GLN A 41 9.286 -0.699 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 41 11.727 0.743 -2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.890 2.133 -1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.993 1.148 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.165 1.954 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.403 2.625 -0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.591 3.673 -1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.591 5.112 -0.019 1.00 0.00 H new ATOM 645 N GLY A 42 13.005 -1.074 -1.240 1.00 0.00 N ATOM 646 CA GLY A 42 13.824 -2.040 -0.538 1.00 0.00 C ATOM 647 C GLY A 42 14.834 -1.372 0.366 1.00 0.00 C ATOM 648 O GLY A 42 14.655 -1.315 1.584 1.00 0.00 O ATOM 0 H GLY A 42 13.347 -0.809 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.185 -2.696 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.344 -2.669 -1.261 1.00 0.00 H new ATOM 652 N ALA A 43 15.891 -0.857 -0.233 1.00 0.00 N ATOM 653 CA ALA A 43 16.935 -0.175 0.507 1.00 0.00 C ATOM 654 C ALA A 43 17.454 1.002 -0.301 1.00 0.00 C ATOM 655 O ALA A 43 18.313 0.833 -1.166 1.00 0.00 O ATOM 656 CB ALA A 43 18.063 -1.135 0.856 1.00 0.00 C ATOM 0 H ALA A 43 16.050 -0.899 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 43 16.518 0.200 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.835 -0.602 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.672 -1.948 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.490 -1.543 -0.060 1.00 0.00 H new ATOM 662 N THR A 44 16.875 2.177 -0.042 1.00 0.00 N ATOM 663 CA THR A 44 17.197 3.438 -0.735 1.00 0.00 C ATOM 664 C THR A 44 16.959 3.384 -2.255 1.00 0.00 C ATOM 665 O THR A 44 17.061 4.402 -2.939 1.00 0.00 O ATOM 666 CB THR A 44 18.633 3.949 -0.433 1.00 0.00 C ATOM 667 OG1 THR A 44 19.623 2.939 -0.685 1.00 0.00 O ATOM 668 CG2 THR A 44 18.742 4.414 1.013 1.00 0.00 C ATOM 0 H THR A 44 16.153 2.286 0.670 1.00 0.00 H new ATOM 0 HA THR A 44 16.491 4.158 -0.321 1.00 0.00 H new ATOM 0 HB THR A 44 18.822 4.788 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.236 2.235 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.755 4.768 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.034 5.224 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.515 3.583 1.681 1.00 0.00 H new ATOM 676 N GLY A 45 16.616 2.211 -2.774 1.00 0.00 N ATOM 677 CA GLY A 45 16.300 2.084 -4.179 1.00 0.00 C ATOM 678 C GLY A 45 14.804 2.068 -4.400 1.00 0.00 C ATOM 679 O GLY A 45 14.118 1.141 -3.971 1.00 0.00 O ATOM 0 H GLY A 45 16.552 1.343 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.744 2.912 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.739 1.167 -4.572 1.00 0.00 H new ATOM 683 N ILE A 46 14.299 3.097 -5.056 1.00 0.00 N ATOM 684 CA ILE A 46 12.862 3.272 -5.204 1.00 0.00 C ATOM 685 C ILE A 46 12.382 2.755 -6.554 1.00 0.00 C ATOM 686 O ILE A 46 12.769 3.283 -7.598 1.00 0.00 O ATOM 687 CB ILE A 46 12.467 4.761 -5.079 1.00 0.00 C ATOM 688 CG1 ILE A 46 13.148 5.404 -3.865 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.953 4.900 -4.980 1.00 0.00 C ATOM 690 CD1 ILE A 46 12.756 4.791 -2.540 1.00 0.00 C ATOM 0 H ILE A 46 14.861 3.826 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 46 12.389 2.700 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 46 12.806 5.283 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 46 14.229 5.325 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 46 12.906 6.467 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.689 5.954 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.490 4.483 -5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.595 4.362 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.281 5.302 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.681 4.894 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.023 3.734 -2.535 1.00 0.00 H new ATOM 702 N GLU A 47 11.553 1.719 -6.536 1.00 0.00 N ATOM 703 CA GLU A 47 10.922 1.239 -7.754 1.00 0.00 C ATOM 704 C GLU A 47 9.442 1.559 -7.719 1.00 0.00 C ATOM 705 O GLU A 47 8.769 1.291 -6.718 1.00 0.00 O ATOM 706 CB GLU A 47 11.126 -0.261 -7.950 1.00 0.00 C ATOM 707 CG GLU A 47 12.524 -0.632 -8.400 1.00 0.00 C ATOM 708 CD GLU A 47 12.582 -2.031 -8.968 1.00 0.00 C ATOM 709 OE1 GLU A 47 12.026 -2.256 -10.065 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.189 -2.915 -8.330 1.00 0.00 O ATOM 0 H GLU A 47 11.304 1.199 -5.695 1.00 0.00 H new ATOM 0 HA GLU A 47 11.393 1.746 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.907 -0.774 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.409 -0.623 -8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.864 0.079 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.209 -0.554 -7.556 1.00 0.00 H new ATOM 717 N ASN A 48 8.951 2.108 -8.824 1.00 0.00 N ATOM 718 CA ASN A 48 7.597 2.645 -8.907 1.00 0.00 C ATOM 719 C ASN A 48 7.464 3.820 -7.955 1.00 0.00 C ATOM 720 O ASN A 48 6.835 3.715 -6.904 1.00 0.00 O ATOM 721 CB ASN A 48 6.532 1.583 -8.593 1.00 0.00 C ATOM 722 CG ASN A 48 5.110 2.086 -8.814 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.557 1.959 -9.906 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.507 2.655 -7.780 1.00 0.00 N ATOM 0 H ASN A 48 9.482 2.194 -9.691 1.00 0.00 H new ATOM 0 HA ASN A 48 7.427 2.974 -9.932 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.704 0.707 -9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.641 1.261 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.553 3.005 -7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.996 2.743 -6.889 1.00 0.00 H new ATOM 731 N GLU A 49 8.106 4.923 -8.308 1.00 0.00 N ATOM 732 CA GLU A 49 8.060 6.126 -7.491 1.00 0.00 C ATOM 733 C GLU A 49 6.635 6.643 -7.414 1.00 0.00 C ATOM 734 O GLU A 49 6.075 7.108 -8.413 1.00 0.00 O ATOM 735 CB GLU A 49 8.968 7.210 -8.067 1.00 0.00 C ATOM 736 CG GLU A 49 10.422 6.795 -8.207 1.00 0.00 C ATOM 737 CD GLU A 49 11.272 7.892 -8.810 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.256 8.045 -10.048 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.946 8.618 -8.049 1.00 0.00 O ATOM 0 H GLU A 49 8.666 5.010 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 49 8.412 5.874 -6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.589 7.503 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.913 8.091 -7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.818 6.527 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.486 5.903 -8.831 1.00 0.00 H new ATOM 746 N LEU A 50 6.043 6.541 -6.242 1.00 0.00 N ATOM 747 CA LEU A 50 4.686 6.961 -6.045 1.00 0.00 C ATOM 748 C LEU A 50 4.622 8.480 -5.938 1.00 0.00 C ATOM 749 O LEU A 50 4.914 9.062 -4.889 1.00 0.00 O ATOM 750 CB LEU A 50 4.128 6.278 -4.803 1.00 0.00 C ATOM 751 CG LEU A 50 2.619 6.292 -4.700 1.00 0.00 C ATOM 752 CD1 LEU A 50 1.993 5.805 -5.996 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.163 5.428 -3.542 1.00 0.00 C ATOM 0 H LEU A 50 6.493 6.165 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 50 4.073 6.670 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.470 5.243 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.544 6.763 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 50 2.295 7.317 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.907 5.822 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.298 6.457 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.324 4.787 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.075 5.447 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.499 4.403 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.586 5.811 -2.613 1.00 0.00 H new ATOM 765 N THR A 51 4.251 9.117 -7.040 1.00 0.00 N ATOM 766 CA THR A 51 4.337 10.560 -7.153 1.00 0.00 C ATOM 767 C THR A 51 3.131 11.241 -6.519 1.00 0.00 C ATOM 768 O THR A 51 2.127 10.595 -6.201 1.00 0.00 O ATOM 769 CB THR A 51 4.485 11.003 -8.629 1.00 0.00 C ATOM 770 OG1 THR A 51 4.718 12.415 -8.701 1.00 0.00 O ATOM 771 CG2 THR A 51 3.247 10.647 -9.439 1.00 0.00 C ATOM 0 H THR A 51 3.886 8.651 -7.871 1.00 0.00 H new ATOM 0 HA THR A 51 5.230 10.870 -6.610 1.00 0.00 H new ATOM 0 HB THR A 51 5.337 10.472 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.812 12.684 -9.639 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.382 10.971 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.094 9.568 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.377 11.147 -9.013 1.00 0.00 H new ATOM 779 N GLU A 52 3.241 12.553 -6.362 1.00 0.00 N ATOM 780 CA GLU A 52 2.250 13.356 -5.660 1.00 0.00 C ATOM 781 C GLU A 52 0.849 13.178 -6.238 1.00 0.00 C ATOM 782 O GLU A 52 -0.127 13.123 -5.493 1.00 0.00 O ATOM 783 CB GLU A 52 2.656 14.823 -5.720 1.00 0.00 C ATOM 784 CG GLU A 52 4.000 15.105 -5.070 1.00 0.00 C ATOM 785 CD GLU A 52 4.461 16.523 -5.302 1.00 0.00 C ATOM 786 OE1 GLU A 52 3.693 17.456 -4.991 1.00 0.00 O ATOM 787 OE2 GLU A 52 5.585 16.715 -5.815 1.00 0.00 O ATOM 0 H GLU A 52 4.027 13.094 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 52 2.217 13.017 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.691 15.140 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.890 15.424 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.929 14.919 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.745 14.414 -5.465 1.00 0.00 H new ATOM 794 N LYS A 53 0.755 13.077 -7.558 1.00 0.00 N ATOM 795 CA LYS A 53 -0.537 12.916 -8.219 1.00 0.00 C ATOM 796 C LYS A 53 -1.274 11.689 -7.694 1.00 0.00 C ATOM 797 O LYS A 53 -2.441 11.775 -7.317 1.00 0.00 O ATOM 798 CB LYS A 53 -0.355 12.821 -9.734 1.00 0.00 C ATOM 799 CG LYS A 53 0.066 14.134 -10.374 1.00 0.00 C ATOM 800 CD LYS A 53 -1.001 15.203 -10.190 1.00 0.00 C ATOM 801 CE LYS A 53 -0.552 16.546 -10.736 1.00 0.00 C ATOM 802 NZ LYS A 53 -1.613 17.582 -10.606 1.00 0.00 N ATOM 0 H LYS A 53 1.554 13.103 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.141 13.795 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.394 12.061 -9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.290 12.489 -10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.003 14.472 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.251 13.980 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.917 14.893 -10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.238 15.302 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.342 16.873 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.277 16.438 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.266 18.484 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.457 17.282 -11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.858 17.704 -9.603 1.00 0.00 H new ATOM 816 N ASP A 54 -0.582 10.557 -7.646 1.00 0.00 N ATOM 817 CA ASP A 54 -1.180 9.318 -7.153 1.00 0.00 C ATOM 818 C ASP A 54 -1.509 9.432 -5.674 1.00 0.00 C ATOM 819 O ASP A 54 -2.578 9.016 -5.227 1.00 0.00 O ATOM 820 CB ASP A 54 -0.245 8.124 -7.374 1.00 0.00 C ATOM 821 CG ASP A 54 0.012 7.831 -8.838 1.00 0.00 C ATOM 822 OD1 ASP A 54 -0.802 7.118 -9.466 1.00 0.00 O ATOM 823 OD2 ASP A 54 1.042 8.296 -9.368 1.00 0.00 O ATOM 0 H ASP A 54 0.390 10.469 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.099 9.153 -7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.705 8.318 -6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.677 7.241 -6.904 1.00 0.00 H new ATOM 828 N VAL A 55 -0.589 10.023 -4.927 1.00 0.00 N ATOM 829 CA VAL A 55 -0.711 10.121 -3.479 1.00 0.00 C ATOM 830 C VAL A 55 -1.879 11.018 -3.061 1.00 0.00 C ATOM 831 O VAL A 55 -2.582 10.721 -2.093 1.00 0.00 O ATOM 832 CB VAL A 55 0.599 10.645 -2.858 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.489 10.746 -1.349 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.757 9.743 -3.235 1.00 0.00 C ATOM 0 H VAL A 55 0.259 10.446 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.911 9.116 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 55 0.781 11.644 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.428 11.118 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.317 11.431 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.277 9.761 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.676 10.125 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.567 8.735 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.862 9.720 -4.320 1.00 0.00 H new ATOM 844 N ASN A 56 -2.083 12.112 -3.784 1.00 0.00 N ATOM 845 CA ASN A 56 -3.174 13.033 -3.473 1.00 0.00 C ATOM 846 C ASN A 56 -4.522 12.437 -3.866 1.00 0.00 C ATOM 847 O ASN A 56 -5.530 12.671 -3.195 1.00 0.00 O ATOM 848 CB ASN A 56 -2.980 14.385 -4.170 1.00 0.00 C ATOM 849 CG ASN A 56 -1.983 15.288 -3.461 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.353 16.089 -2.600 1.00 0.00 O ATOM 851 ND2 ASN A 56 -0.717 15.178 -3.823 1.00 0.00 N ATOM 0 H ASN A 56 -1.513 12.384 -4.585 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.162 13.195 -2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.642 14.214 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.941 14.895 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.009 15.768 -3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.448 14.504 -4.539 1.00 0.00 H new ATOM 858 N ILE A 57 -4.537 11.665 -4.948 1.00 0.00 N ATOM 859 CA ILE A 57 -5.766 11.036 -5.414 1.00 0.00 C ATOM 860 C ILE A 57 -6.169 9.887 -4.492 1.00 0.00 C ATOM 861 O ILE A 57 -7.321 9.806 -4.062 1.00 0.00 O ATOM 862 CB ILE A 57 -5.632 10.521 -6.867 1.00 0.00 C ATOM 863 CG1 ILE A 57 -5.435 11.692 -7.834 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.849 9.698 -7.273 1.00 0.00 C ATOM 865 CD1 ILE A 57 -6.569 12.696 -7.822 1.00 0.00 C ATOM 0 H ILE A 57 -3.715 11.461 -5.516 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.544 11.799 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.755 9.875 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.506 12.205 -7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.320 11.300 -8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.727 9.349 -8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.947 8.840 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.745 10.315 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.355 13.495 -8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.498 12.199 -8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.671 13.118 -6.822 1.00 0.00 H new ATOM 877 N GLY A 58 -5.217 9.010 -4.189 1.00 0.00 N ATOM 878 CA GLY A 58 -5.487 7.903 -3.289 1.00 0.00 C ATOM 879 C GLY A 58 -5.838 8.384 -1.895 1.00 0.00 C ATOM 880 O GLY A 58 -5.173 9.266 -1.351 1.00 0.00 O ATOM 0 H GLY A 58 -4.264 9.046 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.308 7.305 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.613 7.253 -3.240 1.00 0.00 H new ATOM 884 N GLU A 59 -6.872 7.807 -1.305 1.00 0.00 N ATOM 885 CA GLU A 59 -7.343 8.265 -0.003 1.00 0.00 C ATOM 886 C GLU A 59 -6.771 7.417 1.129 1.00 0.00 C ATOM 887 O GLU A 59 -6.330 7.953 2.146 1.00 0.00 O ATOM 888 CB GLU A 59 -8.874 8.288 0.049 1.00 0.00 C ATOM 889 CG GLU A 59 -9.530 7.036 -0.498 1.00 0.00 C ATOM 890 CD GLU A 59 -10.524 7.347 -1.593 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.681 7.681 -1.278 1.00 0.00 O ATOM 892 OE2 GLU A 59 -10.152 7.256 -2.775 1.00 0.00 O ATOM 0 H GLU A 59 -7.399 7.028 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.984 9.285 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.190 8.429 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.233 9.149 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.763 6.365 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.036 6.509 0.311 1.00 0.00 H new ATOM 899 N VAL A 60 -6.763 6.105 0.953 1.00 0.00 N ATOM 900 CA VAL A 60 -6.220 5.219 1.971 1.00 0.00 C ATOM 901 C VAL A 60 -4.844 4.712 1.571 1.00 0.00 C ATOM 902 O VAL A 60 -4.611 4.344 0.417 1.00 0.00 O ATOM 903 CB VAL A 60 -7.151 4.023 2.273 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.389 4.491 3.019 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.548 3.300 0.995 1.00 0.00 C ATOM 0 H VAL A 60 -7.123 5.633 0.123 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.136 5.811 2.882 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.604 3.322 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.035 3.637 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.093 4.956 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.929 5.216 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.203 2.463 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.072 3.990 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.654 2.927 0.495 1.00 0.00 H new ATOM 915 N VAL A 61 -3.933 4.720 2.527 1.00 0.00 N ATOM 916 CA VAL A 61 -2.570 4.287 2.288 1.00 0.00 C ATOM 917 C VAL A 61 -2.308 2.975 3.007 1.00 0.00 C ATOM 918 O VAL A 61 -2.700 2.804 4.157 1.00 0.00 O ATOM 919 CB VAL A 61 -1.542 5.325 2.783 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.150 4.991 2.269 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.947 6.735 2.382 1.00 0.00 C ATOM 0 H VAL A 61 -4.116 5.024 3.483 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.456 4.166 1.211 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.521 5.284 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.559 5.736 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.144 4.005 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.155 4.992 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.203 7.444 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.011 6.800 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.918 6.973 2.817 1.00 0.00 H new ATOM 931 N ILE A 62 -1.663 2.048 2.328 1.00 0.00 N ATOM 932 CA ILE A 62 -1.302 0.784 2.946 1.00 0.00 C ATOM 933 C ILE A 62 0.212 0.644 3.013 1.00 0.00 C ATOM 934 O ILE A 62 0.893 0.632 1.988 1.00 0.00 O ATOM 935 CB ILE A 62 -1.894 -0.422 2.179 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.422 -0.320 2.126 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.470 -1.732 2.836 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.083 -1.436 1.342 1.00 0.00 C ATOM 0 H ILE A 62 -1.378 2.143 1.353 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.719 0.786 3.953 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.509 -0.408 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.812 -0.323 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.698 0.636 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.895 -2.570 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.383 -1.807 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.829 -1.756 3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.164 -1.295 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.722 -1.421 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.839 -2.395 1.798 1.00 0.00 H new ATOM 950 N PHE A 63 0.738 0.555 4.220 1.00 0.00 N ATOM 951 CA PHE A 63 2.160 0.354 4.413 1.00 0.00 C ATOM 952 C PHE A 63 2.441 -1.083 4.809 1.00 0.00 C ATOM 953 O PHE A 63 2.336 -1.447 5.977 1.00 0.00 O ATOM 954 CB PHE A 63 2.717 1.305 5.473 1.00 0.00 C ATOM 955 CG PHE A 63 2.912 2.709 4.982 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.986 3.018 4.165 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.026 3.715 5.329 1.00 0.00 C ATOM 958 CE1 PHE A 63 4.175 4.306 3.705 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.210 5.004 4.871 1.00 0.00 C ATOM 960 CZ PHE A 63 3.286 5.300 4.057 1.00 0.00 C ATOM 0 H PHE A 63 0.199 0.619 5.084 1.00 0.00 H new ATOM 0 HA PHE A 63 2.657 0.569 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.040 1.319 6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.672 0.918 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.684 2.243 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.183 3.489 5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.018 4.535 3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.513 5.781 5.149 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.431 6.308 3.697 1.00 0.00 H new ATOM 970 N ALA A 64 2.751 -1.903 3.821 1.00 0.00 N ATOM 971 CA ALA A 64 3.196 -3.257 4.074 1.00 0.00 C ATOM 972 C ALA A 64 4.710 -3.267 4.067 1.00 0.00 C ATOM 973 O ALA A 64 5.339 -3.407 3.017 1.00 0.00 O ATOM 974 CB ALA A 64 2.639 -4.207 3.026 1.00 0.00 C ATOM 0 H ALA A 64 2.702 -1.652 2.834 1.00 0.00 H new ATOM 0 HA ALA A 64 2.832 -3.596 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.984 -5.220 3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.550 -4.182 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.983 -3.901 2.038 1.00 0.00 H new ATOM 980 N VAL A 65 5.300 -3.081 5.230 1.00 0.00 N ATOM 981 CA VAL A 65 6.724 -2.821 5.304 1.00 0.00 C ATOM 982 C VAL A 65 7.419 -3.673 6.354 1.00 0.00 C ATOM 983 O VAL A 65 6.821 -4.555 6.972 1.00 0.00 O ATOM 984 CB VAL A 65 7.006 -1.328 5.593 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.497 -0.454 4.453 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.383 -0.904 6.918 1.00 0.00 C ATOM 0 H VAL A 65 4.821 -3.105 6.130 1.00 0.00 H new ATOM 0 HA VAL A 65 7.129 -3.087 4.328 1.00 0.00 H new ATOM 0 HB VAL A 65 8.085 -1.195 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.705 0.592 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.999 -0.735 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.422 -0.594 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.595 0.150 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.304 -1.055 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.804 -1.503 7.726 1.00 0.00 H new ATOM 996 N ASP A 66 8.701 -3.395 6.515 1.00 0.00 N ATOM 997 CA ASP A 66 9.562 -4.079 7.463 1.00 0.00 C ATOM 998 C ASP A 66 10.694 -3.137 7.851 1.00 0.00 C ATOM 999 O ASP A 66 11.159 -3.126 8.989 1.00 0.00 O ATOM 1000 CB ASP A 66 10.124 -5.354 6.828 1.00 0.00 C ATOM 1001 CG ASP A 66 11.093 -6.098 7.726 1.00 0.00 C ATOM 1002 OD1 ASP A 66 12.298 -5.761 7.721 1.00 0.00 O ATOM 1003 OD2 ASP A 66 10.661 -7.041 8.418 1.00 0.00 O ATOM 0 H ASP A 66 9.182 -2.673 5.979 1.00 0.00 H new ATOM 0 HA ASP A 66 8.997 -4.360 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.298 -6.017 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.629 -5.095 5.897 1.00 0.00 H new ATOM 1008 N THR A 67 11.116 -2.336 6.879 1.00 0.00 N ATOM 1009 CA THR A 67 12.141 -1.330 7.096 1.00 0.00 C ATOM 1010 C THR A 67 11.512 0.066 7.028 1.00 0.00 C ATOM 1011 O THR A 67 10.287 0.199 6.957 1.00 0.00 O ATOM 1012 CB THR A 67 13.280 -1.464 6.051 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.369 -0.579 6.360 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.772 -1.165 4.646 1.00 0.00 C ATOM 0 H THR A 67 10.758 -2.368 5.925 1.00 0.00 H new ATOM 0 HA THR A 67 12.576 -1.480 8.084 1.00 0.00 H new ATOM 0 HB THR A 67 13.635 -2.494 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.075 -0.683 5.689 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.591 -1.266 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.979 -1.867 4.389 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.383 -0.148 4.609 1.00 0.00 H new ATOM 1022 N LYS A 68 12.348 1.096 7.047 1.00 0.00 N ATOM 1023 CA LYS A 68 11.876 2.474 7.038 1.00 0.00 C ATOM 1024 C LYS A 68 11.425 2.897 5.644 1.00 0.00 C ATOM 1025 O LYS A 68 11.899 2.372 4.636 1.00 0.00 O ATOM 1026 CB LYS A 68 12.978 3.414 7.535 1.00 0.00 C ATOM 1027 CG LYS A 68 14.264 3.331 6.729 1.00 0.00 C ATOM 1028 CD LYS A 68 15.311 4.301 7.248 1.00 0.00 C ATOM 1029 CE LYS A 68 16.614 4.176 6.479 1.00 0.00 C ATOM 1030 NZ LYS A 68 17.637 5.136 6.968 1.00 0.00 N ATOM 0 H LYS A 68 13.363 1.001 7.069 1.00 0.00 H new ATOM 0 HA LYS A 68 11.018 2.537 7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.608 4.439 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.198 3.182 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.656 2.315 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.053 3.548 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.936 5.321 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.492 4.111 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.995 3.159 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.429 4.351 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.512 5.020 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.283 6.108 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.832 4.953 7.973 1.00 0.00 H new ATOM 1044 N VAL A 69 10.504 3.846 5.600 1.00 0.00 N ATOM 1045 CA VAL A 69 10.020 4.390 4.341 1.00 0.00 C ATOM 1046 C VAL A 69 10.400 5.861 4.239 1.00 0.00 C ATOM 1047 O VAL A 69 10.247 6.614 5.198 1.00 0.00 O ATOM 1048 CB VAL A 69 8.487 4.249 4.211 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.004 4.763 2.861 1.00 0.00 C ATOM 1050 CG2 VAL A 69 8.061 2.806 4.417 1.00 0.00 C ATOM 0 H VAL A 69 10.074 4.258 6.428 1.00 0.00 H new ATOM 0 HA VAL A 69 10.484 3.824 3.533 1.00 0.00 H new ATOM 0 HB VAL A 69 8.026 4.858 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.922 4.652 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.268 5.815 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.476 4.190 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.978 2.729 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.537 2.175 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.362 2.476 5.412 1.00 0.00 H new ATOM 1060 N ARG A 70 10.915 6.263 3.089 1.00 0.00 N ATOM 1061 CA ARG A 70 11.296 7.652 2.872 1.00 0.00 C ATOM 1062 C ARG A 70 10.096 8.487 2.424 1.00 0.00 C ATOM 1063 O ARG A 70 9.865 9.584 2.929 1.00 0.00 O ATOM 1064 CB ARG A 70 12.413 7.737 1.829 1.00 0.00 C ATOM 1065 CG ARG A 70 12.868 9.158 1.540 1.00 0.00 C ATOM 1066 CD ARG A 70 13.987 9.185 0.514 1.00 0.00 C ATOM 1067 NE ARG A 70 14.388 10.551 0.173 1.00 0.00 N ATOM 1068 CZ ARG A 70 15.486 10.854 -0.522 1.00 0.00 C ATOM 1069 NH1 ARG A 70 16.288 9.888 -0.958 1.00 0.00 N ATOM 1070 NH2 ARG A 70 15.781 12.121 -0.779 1.00 0.00 N ATOM 0 H ARG A 70 11.079 5.649 2.291 1.00 0.00 H new ATOM 0 HA ARG A 70 11.659 8.055 3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.267 7.154 2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.069 7.279 0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.025 9.744 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.208 9.627 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.848 8.641 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.663 8.667 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 70 13.792 11.317 0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.065 8.912 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.127 10.122 -1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.168 12.865 -0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.621 12.351 -1.310 1.00 0.00 H new ATOM 1084 N ASN A 71 9.316 7.936 1.503 1.00 0.00 N ATOM 1085 CA ASN A 71 8.216 8.668 0.869 1.00 0.00 C ATOM 1086 C ASN A 71 7.010 8.820 1.791 1.00 0.00 C ATOM 1087 O ASN A 71 6.043 9.495 1.443 1.00 0.00 O ATOM 1088 CB ASN A 71 7.806 8.004 -0.448 1.00 0.00 C ATOM 1089 CG ASN A 71 8.909 8.085 -1.494 1.00 0.00 C ATOM 1090 OD1 ASN A 71 9.711 9.020 -1.493 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.968 7.114 -2.387 1.00 0.00 N ATOM 0 H ASN A 71 9.423 6.977 1.173 1.00 0.00 H new ATOM 0 HA ASN A 71 8.586 9.671 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.556 6.959 -0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.906 8.485 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.693 7.124 -3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.288 6.354 -2.360 1.00 0.00 H new ATOM 1098 N LYS A 72 7.067 8.188 2.964 1.00 0.00 N ATOM 1099 CA LYS A 72 5.989 8.284 3.956 1.00 0.00 C ATOM 1100 C LYS A 72 5.662 9.743 4.272 1.00 0.00 C ATOM 1101 O LYS A 72 4.566 10.057 4.722 1.00 0.00 O ATOM 1102 CB LYS A 72 6.343 7.507 5.237 1.00 0.00 C ATOM 1103 CG LYS A 72 7.660 7.908 5.886 1.00 0.00 C ATOM 1104 CD LYS A 72 7.529 9.146 6.758 1.00 0.00 C ATOM 1105 CE LYS A 72 8.883 9.600 7.270 1.00 0.00 C ATOM 1106 NZ LYS A 72 8.775 10.802 8.131 1.00 0.00 N ATOM 0 H LYS A 72 7.850 7.602 3.253 1.00 0.00 H new ATOM 0 HA LYS A 72 5.098 7.827 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.541 7.645 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.380 6.443 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.030 7.080 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.402 8.092 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.065 9.950 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.871 8.933 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.348 8.791 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.536 9.817 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.722 11.080 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.355 11.582 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.172 10.588 8.951 1.00 0.00 H new ATOM 1120 N GLU A 73 6.641 10.612 4.031 1.00 0.00 N ATOM 1121 CA GLU A 73 6.498 12.058 4.197 1.00 0.00 C ATOM 1122 C GLU A 73 5.176 12.594 3.626 1.00 0.00 C ATOM 1123 O GLU A 73 4.512 13.411 4.259 1.00 0.00 O ATOM 1124 CB GLU A 73 7.687 12.765 3.528 1.00 0.00 C ATOM 1125 CG GLU A 73 8.058 12.171 2.176 1.00 0.00 C ATOM 1126 CD GLU A 73 9.172 12.917 1.477 1.00 0.00 C ATOM 1127 OE1 GLU A 73 10.220 13.174 2.105 1.00 0.00 O ATOM 1128 OE2 GLU A 73 9.004 13.234 0.279 1.00 0.00 O ATOM 0 H GLU A 73 7.567 10.329 3.711 1.00 0.00 H new ATOM 0 HA GLU A 73 6.485 12.267 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.448 13.821 3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.551 12.712 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.357 11.132 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.176 12.166 1.535 1.00 0.00 H new ATOM 1135 N ARG A 74 4.791 12.131 2.437 1.00 0.00 N ATOM 1136 CA ARG A 74 3.577 12.617 1.789 1.00 0.00 C ATOM 1137 C ARG A 74 2.323 11.924 2.323 1.00 0.00 C ATOM 1138 O ARG A 74 1.241 12.509 2.333 1.00 0.00 O ATOM 1139 CB ARG A 74 3.686 12.422 0.279 1.00 0.00 C ATOM 1140 CG ARG A 74 3.848 10.972 -0.140 1.00 0.00 C ATOM 1141 CD ARG A 74 4.661 10.859 -1.413 1.00 0.00 C ATOM 1142 NE ARG A 74 6.039 11.312 -1.227 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.040 11.035 -2.062 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.833 10.270 -3.131 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.255 11.522 -1.826 1.00 0.00 N ATOM 0 H ARG A 74 5.300 11.424 1.907 1.00 0.00 H new ATOM 0 HA ARG A 74 3.480 13.679 2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.794 12.831 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.536 12.995 -0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.336 10.412 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.867 10.522 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.663 9.823 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.189 11.449 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 74 6.248 11.877 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.904 9.892 -3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.604 10.062 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.420 12.107 -1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.022 11.311 -2.464 1.00 0.00 H new ATOM 1159 N PHE A 75 2.465 10.678 2.759 1.00 0.00 N ATOM 1160 CA PHE A 75 1.338 9.915 3.266 1.00 0.00 C ATOM 1161 C PHE A 75 1.051 10.282 4.717 1.00 0.00 C ATOM 1162 O PHE A 75 -0.059 10.081 5.208 1.00 0.00 O ATOM 1163 CB PHE A 75 1.619 8.420 3.150 1.00 0.00 C ATOM 1164 CG PHE A 75 2.046 7.992 1.775 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.121 7.869 0.755 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.373 7.715 1.505 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.516 7.478 -0.509 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.774 7.325 0.246 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.845 7.204 -0.762 1.00 0.00 C ATOM 0 H PHE A 75 3.353 10.176 2.770 1.00 0.00 H new ATOM 0 HA PHE A 75 0.460 10.158 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.397 8.149 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.722 7.868 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.080 8.081 0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.106 7.806 2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.786 7.387 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.815 7.115 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.155 6.895 -1.749 1.00 0.00 H new ATOM 1179 N ASP A 76 2.062 10.803 5.403 1.00 0.00 N ATOM 1180 CA ASP A 76 1.895 11.278 6.772 1.00 0.00 C ATOM 1181 C ASP A 76 0.908 12.438 6.802 1.00 0.00 C ATOM 1182 O ASP A 76 1.113 13.456 6.141 1.00 0.00 O ATOM 1183 CB ASP A 76 3.234 11.721 7.361 1.00 0.00 C ATOM 1184 CG ASP A 76 3.102 12.208 8.791 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.973 11.363 9.705 1.00 0.00 O ATOM 1186 OD2 ASP A 76 3.121 13.436 9.010 1.00 0.00 O ATOM 0 H ASP A 76 3.007 10.907 5.033 1.00 0.00 H new ATOM 0 HA ASP A 76 1.507 10.457 7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.937 10.888 7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.653 12.517 6.746 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.163 12.272 7.557 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.225 13.254 7.565 1.00 0.00 C ATOM 1193 C GLY A 77 -2.431 12.755 6.801 1.00 0.00 C ATOM 1194 O GLY A 77 -3.473 13.408 6.758 1.00 0.00 O ATOM 0 H GLY A 77 -0.318 11.470 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.509 13.479 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.869 14.184 7.122 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.274 11.595 6.184 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.363 10.935 5.486 1.00 0.00 C ATOM 1200 C LYS A 78 -3.794 9.693 6.260 1.00 0.00 C ATOM 1201 O LYS A 78 -3.292 9.433 7.352 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.936 10.566 4.059 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.785 11.774 3.144 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.065 11.427 1.845 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.760 10.315 1.074 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.162 10.665 0.718 1.00 0.00 N ATOM 0 H LYS A 78 -1.390 11.086 6.153 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.211 11.617 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.989 10.028 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.672 9.885 3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.771 12.179 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.233 12.556 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.004 12.317 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.042 11.125 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.199 10.101 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.756 9.404 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.561 9.923 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.731 10.744 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.175 11.573 0.212 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.718 8.929 5.699 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.234 7.746 6.380 1.00 0.00 C ATOM 1222 C VAL A 79 -4.470 6.511 5.926 1.00 0.00 C ATOM 1223 O VAL A 79 -4.621 6.067 4.789 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.742 7.547 6.114 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.272 6.342 6.879 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.522 8.800 6.484 1.00 0.00 C ATOM 0 H VAL A 79 -5.126 9.103 4.780 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.096 7.894 7.451 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.876 7.360 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.336 6.222 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.738 5.446 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.121 6.494 7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.582 8.639 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.377 9.020 7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.167 9.640 5.887 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.633 5.967 6.801 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.785 4.845 6.425 1.00 0.00 C ATOM 1238 C VAL A 80 -2.996 3.649 7.351 1.00 0.00 C ATOM 1239 O VAL A 80 -3.397 3.797 8.508 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.279 5.226 6.424 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -1.074 6.645 5.915 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.653 5.048 7.800 1.00 0.00 C ATOM 0 H VAL A 80 -3.524 6.281 7.765 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.077 4.572 5.411 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.772 4.543 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.011 6.885 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.454 6.725 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.610 7.343 6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.401 5.324 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.168 5.685 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.743 4.007 8.109 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.746 2.466 6.813 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.714 1.242 7.592 1.00 0.00 C ATOM 1254 C LEU A 81 -1.308 0.661 7.546 1.00 0.00 C ATOM 1255 O LEU A 81 -0.731 0.526 6.469 1.00 0.00 O ATOM 1256 CB LEU A 81 -3.706 0.223 7.036 1.00 0.00 C ATOM 1257 CG LEU A 81 -3.702 -1.125 7.753 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -4.516 -1.058 9.036 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.213 -2.214 6.831 1.00 0.00 C ATOM 0 H LEU A 81 -2.559 2.329 5.820 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.993 1.469 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.709 0.645 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.486 0.059 5.981 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.676 -1.369 8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.498 -2.030 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.088 -0.307 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.546 -0.789 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.204 -3.169 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.231 -1.980 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.571 -2.277 5.952 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.748 0.332 8.697 1.00 0.00 N ATOM 1272 CA GLU A 82 0.606 -0.201 8.743 1.00 0.00 C ATOM 1273 C GLU A 82 0.595 -1.672 9.147 1.00 0.00 C ATOM 1274 O GLU A 82 0.290 -2.011 10.294 1.00 0.00 O ATOM 1275 CB GLU A 82 1.470 0.615 9.710 1.00 0.00 C ATOM 1276 CG GLU A 82 2.947 0.263 9.647 1.00 0.00 C ATOM 1277 CD GLU A 82 3.794 1.113 10.571 1.00 0.00 C ATOM 1278 OE1 GLU A 82 4.168 2.238 10.176 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.106 0.655 11.687 1.00 0.00 O ATOM 0 H GLU A 82 -1.203 0.423 9.605 1.00 0.00 H new ATOM 0 HA GLU A 82 1.037 -0.125 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.347 1.675 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.110 0.458 10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.077 -0.788 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.301 0.384 8.623 1.00 0.00 H new ATOM 1286 N VAL A 83 0.903 -2.539 8.190 1.00 0.00 N ATOM 1287 CA VAL A 83 0.978 -3.976 8.432 1.00 0.00 C ATOM 1288 C VAL A 83 2.332 -4.530 7.984 1.00 0.00 C ATOM 1289 O VAL A 83 3.064 -3.867 7.244 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.148 -4.737 7.690 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.511 -4.399 8.278 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.118 -4.430 6.198 1.00 0.00 C ATOM 0 H VAL A 83 1.107 -2.268 7.228 1.00 0.00 H new ATOM 0 HA VAL A 83 0.856 -4.126 9.505 1.00 0.00 H new ATOM 0 HB VAL A 83 0.025 -5.805 7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.285 -4.946 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.533 -4.681 9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.692 -3.328 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.918 -4.976 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.257 -3.360 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.843 -4.734 5.783 1.00 0.00 H new ATOM 1302 N PRO A 84 2.698 -5.741 8.442 1.00 0.00 N ATOM 1303 CA PRO A 84 3.921 -6.413 7.992 1.00 0.00 C ATOM 1304 C PRO A 84 3.878 -6.709 6.494 1.00 0.00 C ATOM 1305 O PRO A 84 2.821 -7.027 5.949 1.00 0.00 O ATOM 1306 CB PRO A 84 3.945 -7.720 8.796 1.00 0.00 C ATOM 1307 CG PRO A 84 3.019 -7.491 9.942 1.00 0.00 C ATOM 1308 CD PRO A 84 1.970 -6.541 9.440 1.00 0.00 C ATOM 0 HA PRO A 84 4.807 -5.798 8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.617 -8.563 8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.952 -7.950 9.143 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.571 -8.427 10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.551 -7.070 10.796 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.126 -7.069 8.996 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.571 -5.920 10.242 1.00 0.00 H new ATOM 1316 N VAL A 85 5.025 -6.609 5.839 1.00 0.00 N ATOM 1317 CA VAL A 85 5.110 -6.789 4.390 1.00 0.00 C ATOM 1318 C VAL A 85 4.628 -8.182 3.953 1.00 0.00 C ATOM 1319 O VAL A 85 4.033 -8.338 2.890 1.00 0.00 O ATOM 1320 CB VAL A 85 6.553 -6.540 3.889 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.527 -7.553 4.475 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.615 -6.547 2.370 1.00 0.00 C ATOM 0 H VAL A 85 5.917 -6.403 6.288 1.00 0.00 H new ATOM 0 HA VAL A 85 4.446 -6.053 3.937 1.00 0.00 H new ATOM 0 HB VAL A 85 6.853 -5.551 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.531 -7.350 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.521 -7.477 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.227 -8.559 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.641 -6.370 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.279 -7.514 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.970 -5.762 1.976 1.00 0.00 H new ATOM 1332 N SER A 86 4.863 -9.183 4.790 1.00 0.00 N ATOM 1333 CA SER A 86 4.485 -10.558 4.475 1.00 0.00 C ATOM 1334 C SER A 86 2.970 -10.786 4.594 1.00 0.00 C ATOM 1335 O SER A 86 2.434 -11.743 4.028 1.00 0.00 O ATOM 1336 CB SER A 86 5.250 -11.520 5.385 1.00 0.00 C ATOM 1337 OG SER A 86 6.654 -11.340 5.242 1.00 0.00 O ATOM 0 H SER A 86 5.316 -9.070 5.697 1.00 0.00 H new ATOM 0 HA SER A 86 4.750 -10.750 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.961 -11.354 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.984 -12.548 5.141 1.00 0.00 H new ATOM 0 HG SER A 86 7.125 -12.072 5.693 1.00 0.00 H new ATOM 1343 N ALA A 87 2.289 -9.899 5.316 1.00 0.00 N ATOM 1344 CA ALA A 87 0.864 -10.065 5.609 1.00 0.00 C ATOM 1345 C ALA A 87 -0.029 -10.000 4.355 1.00 0.00 C ATOM 1346 O ALA A 87 -0.807 -10.930 4.120 1.00 0.00 O ATOM 1347 CB ALA A 87 0.407 -9.042 6.640 1.00 0.00 C ATOM 0 H ALA A 87 2.702 -9.054 5.711 1.00 0.00 H new ATOM 0 HA ALA A 87 0.751 -11.069 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.655 -9.181 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.975 -9.175 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.573 -8.037 6.253 1.00 0.00 H new ATOM 1353 N PRO A 88 0.058 -8.928 3.524 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.823 -8.760 2.354 1.00 0.00 C ATOM 1355 C PRO A 88 -0.554 -9.774 1.246 1.00 0.00 C ATOM 1356 O PRO A 88 -1.247 -9.793 0.230 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.509 -7.345 1.865 1.00 0.00 C ATOM 1358 CG PRO A 88 0.879 -7.091 2.326 1.00 0.00 C ATOM 1359 CD PRO A 88 1.004 -7.798 3.644 1.00 0.00 C ATOM 0 HA PRO A 88 -1.868 -8.916 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.586 -7.274 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.205 -6.617 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.606 -7.470 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.066 -6.023 2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.023 -8.145 3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.744 -7.144 4.476 1.00 0.00 H new ATOM 1367 N ILE A 89 0.459 -10.606 1.434 1.00 0.00 N ATOM 1368 CA ILE A 89 0.731 -11.681 0.498 1.00 0.00 C ATOM 1369 C ILE A 89 -0.394 -12.708 0.555 1.00 0.00 C ATOM 1370 O ILE A 89 -0.903 -13.149 -0.475 1.00 0.00 O ATOM 1371 CB ILE A 89 2.085 -12.363 0.797 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.233 -11.362 0.624 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.288 -13.574 -0.103 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.602 -11.941 0.912 1.00 0.00 C ATOM 0 H ILE A 89 1.103 -10.556 2.224 1.00 0.00 H new ATOM 0 HA ILE A 89 0.787 -11.253 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 89 2.078 -12.707 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.218 -10.981 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.063 -10.512 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.247 -14.039 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.487 -14.293 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.276 -13.258 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.360 -11.171 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.637 -12.296 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.795 -12.773 0.234 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.789 -13.063 1.768 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.867 -14.016 1.973 1.00 0.00 C ATOM 1388 C LYS A 90 -3.193 -13.297 2.211 1.00 0.00 C ATOM 1389 O LYS A 90 -4.175 -13.533 1.512 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.546 -14.928 3.157 1.00 0.00 C ATOM 1391 CG LYS A 90 -2.626 -15.955 3.450 1.00 0.00 C ATOM 1392 CD LYS A 90 -2.241 -16.843 4.618 1.00 0.00 C ATOM 1393 CE LYS A 90 -3.322 -17.868 4.917 1.00 0.00 C ATOM 1394 NZ LYS A 90 -2.920 -18.784 6.015 1.00 0.00 N ATOM 0 H LYS A 90 -0.376 -12.703 2.629 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.962 -14.621 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.608 -15.447 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.391 -14.315 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.564 -15.446 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.797 -16.568 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.305 -17.354 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.066 -16.229 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.244 -17.355 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.533 -18.447 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.682 -19.470 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.053 -19.291 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.743 -18.233 6.879 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.202 -12.394 3.184 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.434 -11.735 3.614 1.00 0.00 C ATOM 1410 C ASP A 91 -4.677 -10.445 2.842 1.00 0.00 C ATOM 1411 O ASP A 91 -5.152 -9.464 3.408 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.373 -11.422 5.115 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.424 -12.662 5.982 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.538 -13.132 6.296 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -3.350 -13.171 6.365 1.00 0.00 O ATOM 0 H ASP A 91 -2.369 -12.099 3.693 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.258 -12.419 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.456 -10.874 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.204 -10.768 5.378 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.391 -10.468 1.545 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.511 -9.277 0.704 1.00 0.00 C ATOM 1422 C ALA A 92 -5.896 -8.646 0.818 1.00 0.00 C ATOM 1423 O ALA A 92 -6.019 -7.447 1.073 1.00 0.00 O ATOM 1424 CB ALA A 92 -4.215 -9.623 -0.748 1.00 0.00 C ATOM 0 H ALA A 92 -4.073 -11.301 1.049 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.780 -8.549 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.308 -8.727 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.201 -10.015 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.923 -10.375 -1.094 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.926 -9.466 0.662 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.304 -8.985 0.685 1.00 0.00 C ATOM 1432 C GLU A 93 -8.631 -8.334 2.025 1.00 0.00 C ATOM 1433 O GLU A 93 -9.316 -7.308 2.083 1.00 0.00 O ATOM 1434 CB GLU A 93 -9.276 -10.142 0.436 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.813 -11.134 -0.621 1.00 0.00 C ATOM 1436 CD GLU A 93 -8.380 -10.468 -1.911 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -9.227 -9.837 -2.572 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -7.188 -10.580 -2.259 1.00 0.00 O ATOM 0 H GLU A 93 -6.835 -10.472 0.518 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.411 -8.242 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.435 -10.676 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.240 -9.732 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.983 -11.718 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.622 -11.833 -0.834 1.00 0.00 H new ATOM 1445 N LYS A 94 -8.123 -8.923 3.100 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.430 -8.451 4.440 1.00 0.00 C ATOM 1447 C LYS A 94 -7.709 -7.137 4.712 1.00 0.00 C ATOM 1448 O LYS A 94 -8.248 -6.251 5.369 1.00 0.00 O ATOM 1449 CB LYS A 94 -8.036 -9.502 5.478 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.605 -9.232 6.861 1.00 0.00 C ATOM 1451 CD LYS A 94 -8.155 -10.284 7.861 1.00 0.00 C ATOM 1452 CE LYS A 94 -8.772 -10.060 9.235 1.00 0.00 C ATOM 1453 NZ LYS A 94 -8.497 -8.693 9.754 1.00 0.00 N ATOM 0 H LYS A 94 -7.497 -9.728 3.068 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.504 -8.280 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.375 -10.481 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.949 -9.547 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.288 -8.246 7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.694 -9.217 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.430 -11.273 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.068 -10.266 7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.849 -10.216 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.379 -10.799 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.768 -8.641 10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.483 -8.483 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.047 -7.998 9.210 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.497 -7.012 4.182 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.727 -5.782 4.304 1.00 0.00 C ATOM 1469 C VAL A 95 -6.432 -4.643 3.568 1.00 0.00 C ATOM 1470 O VAL A 95 -6.506 -3.519 4.064 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.295 -5.952 3.746 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.501 -4.660 3.868 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.577 -7.088 4.459 1.00 0.00 C ATOM 0 H VAL A 95 -6.026 -7.752 3.662 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.654 -5.542 5.365 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.374 -6.199 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.498 -4.810 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.002 -3.871 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.433 -4.372 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.571 -7.194 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.518 -6.869 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.128 -8.017 4.310 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.962 -4.953 2.388 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.714 -3.978 1.605 1.00 0.00 C ATOM 1485 C ILE A 96 -8.958 -3.521 2.367 1.00 0.00 C ATOM 1486 O ILE A 96 -9.232 -2.323 2.476 1.00 0.00 O ATOM 1487 CB ILE A 96 -8.129 -4.562 0.233 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.886 -4.905 -0.591 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -9.023 -3.587 -0.524 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -7.201 -5.584 -1.905 1.00 0.00 C ATOM 0 H ILE A 96 -6.884 -5.872 1.953 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.063 -3.120 1.434 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.698 -5.476 0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.327 -3.990 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.237 -5.554 -0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.301 -4.020 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.922 -3.390 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.485 -2.653 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.273 -5.798 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.733 -6.516 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.824 -4.928 -2.513 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.692 -4.482 2.914 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.896 -4.181 3.681 1.00 0.00 C ATOM 1504 C ASN A 97 -10.552 -3.444 4.969 1.00 0.00 C ATOM 1505 O ASN A 97 -11.329 -2.617 5.444 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.680 -5.461 3.997 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.552 -5.922 2.841 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.712 -5.522 2.726 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.010 -6.774 1.984 1.00 0.00 N ATOM 0 H ASN A 97 -9.475 -5.476 2.841 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.524 -3.533 3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.980 -6.255 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.307 -5.290 4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.556 -7.122 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.046 -7.083 2.112 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.378 -3.733 5.522 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.914 -3.073 6.737 1.00 0.00 C ATOM 1518 C ALA A 98 -8.638 -1.597 6.482 1.00 0.00 C ATOM 1519 O ALA A 98 -8.913 -0.751 7.331 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.670 -3.764 7.281 1.00 0.00 C ATOM 0 H ALA A 98 -8.728 -4.423 5.146 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.704 -3.146 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.339 -3.257 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.903 -4.804 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.877 -3.726 6.534 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.106 -1.290 5.303 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.876 0.093 4.913 1.00 0.00 C ATOM 1528 C ALA A 99 -9.204 0.837 4.811 1.00 0.00 C ATOM 1529 O ALA A 99 -9.329 1.984 5.241 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.120 0.158 3.592 1.00 0.00 C ATOM 0 H ALA A 99 -7.828 -1.979 4.604 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.266 0.575 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.957 1.200 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.158 -0.344 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.703 -0.336 2.815 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.204 0.156 4.260 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.542 0.720 4.132 1.00 0.00 C ATOM 1538 C LEU A 100 -12.201 0.842 5.503 1.00 0.00 C ATOM 1539 O LEU A 100 -13.012 1.734 5.741 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.400 -0.155 3.213 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.842 -0.367 1.806 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.734 -1.312 1.017 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.698 0.963 1.081 1.00 0.00 C ATOM 0 H LEU A 100 -10.111 -0.791 3.894 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.458 1.715 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.531 -1.129 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.389 0.295 3.130 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.853 -0.818 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.322 -1.452 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.785 -2.274 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.735 -0.888 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.299 0.791 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.673 1.443 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.018 1.609 1.637 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.830 -0.054 6.409 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.351 -0.044 7.772 1.00 0.00 C ATOM 1557 C ALA A 101 -11.872 1.183 8.537 1.00 0.00 C ATOM 1558 O ALA A 101 -12.428 1.528 9.576 1.00 0.00 O ATOM 1559 CB ALA A 101 -11.943 -1.313 8.505 1.00 0.00 C ATOM 0 H ALA A 101 -11.164 -0.804 6.223 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.439 -0.003 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.339 -1.290 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.341 -2.181 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.856 -1.378 8.541 1.00 0.00 H new ATOM 1565 N LEU A 102 -10.837 1.834 8.024 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.290 3.017 8.671 1.00 0.00 C ATOM 1567 C LEU A 102 -11.064 4.270 8.280 1.00 0.00 C ATOM 1568 O LEU A 102 -11.109 5.238 9.034 1.00 0.00 O ATOM 1569 CB LEU A 102 -8.812 3.180 8.321 1.00 0.00 C ATOM 1570 CG LEU A 102 -7.921 2.010 8.736 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -6.467 2.308 8.413 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.091 1.710 10.218 1.00 0.00 C ATOM 0 H LEU A 102 -10.361 1.563 7.164 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.387 2.883 9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.722 3.322 7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.439 4.088 8.795 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.224 1.128 8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.847 1.464 8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.359 2.472 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.151 3.202 8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.449 0.874 10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.815 2.589 10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.131 1.452 10.420 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.676 4.251 7.102 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.445 5.399 6.634 1.00 0.00 C ATOM 1586 C ILE A 103 -13.946 5.140 6.732 1.00 0.00 C ATOM 1587 O ILE A 103 -14.687 5.960 7.273 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.080 5.795 5.185 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.148 4.583 4.248 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.697 6.427 5.151 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.876 4.911 2.799 1.00 0.00 C ATOM 0 H ILE A 103 -11.656 3.461 6.458 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.184 6.230 7.289 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.808 6.526 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.427 3.837 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.136 4.130 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.448 6.703 4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.689 7.318 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.962 5.714 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.943 4.002 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.612 5.633 2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.877 5.335 2.703 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.383 3.991 6.233 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.798 3.644 6.221 1.00 0.00 C ATOM 1605 C ASP A 104 -16.202 3.037 7.550 1.00 0.00 C ATOM 1606 O ASP A 104 -17.334 3.207 8.002 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.108 2.640 5.101 1.00 0.00 C ATOM 1608 CG ASP A 104 -16.072 3.246 3.712 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -17.048 3.924 3.329 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -15.088 3.020 2.981 1.00 0.00 O ATOM 0 H ASP A 104 -13.774 3.280 5.829 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.362 4.560 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.389 1.822 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -17.094 2.209 5.274 1.00 0.00 H new